A dinuclear [{(p-cym)RuIICl}2(μ-bpytz˙−)]+ complex bridged by a radical anion: synthesis, spectroelectrochemical, EPR and theoretical investigation (bpytz = 3,6-bis(3,5-dimethylpyrazolyl)1,2,4,5-tetrazine; p-cym = p-cymene)

Suman Kumar Tripathy; Margarethe van der Meer; Anupam Sahoo; Paltan Laha; Niranjan Dehury; Sebastian Plebst; Biprajit Sarkar; Kousik Samanta; Srikanta Patra

doi:10.1039/c6dt01995a

A dinuclear [{(p-cym)RuIICl}2(μ-bpytz˙−)]+ complex bridged by a radical anion: synthesis, spectroelectrochemical, EPR and theoretical investigation (bpytz = 3,6-bis(3,5-dimethylpyrazolyl)1,2,4,5-tetrazine; p-cym = p-cymene)

Dalton Transactions ◽

10.1039/c6dt01995a ◽

2016 ◽

Vol 45 (31) ◽

pp. 12532-12538 ◽

Cited By ~ 8

Author(s):

Suman Kumar Tripathy ◽

Margarethe van der Meer ◽

Anupam Sahoo ◽

Paltan Laha ◽

Niranjan Dehury ◽

...

Keyword(s):

Theoretical Investigation ◽

Radical Anion ◽

Ancillary Ligand

p-Cymene as an ancillary ligand favours the stabilisation of a tetrazine radical bridged in a dinuclear [{(p-cym)RuII}2(μ-bpytz˙−)]+ complex.

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Synthesis and structure of a novel mixed-ligand electroluminescence-relevant complex of gallium(III) with 2-(2′-hydroxylphenyl)benzothiazole and acetate, and a theoretical investigation on effect of ancillary ligand on solid stacking structure, electroluminescent wavelength shift and other changes in photophysical properties compared to its conventional tris-chelate electroluminescence-relevant counterpart

Synthetic Metals ◽

10.1016/j.synthmet.2010.05.037 ◽

2010 ◽

Vol 160 (15-16) ◽

pp. 1662-1667 ◽

Cited By ~ 5

Author(s):

Yi-Ping Tong ◽

Yan-Wen Lin

Keyword(s):

Theoretical Investigation ◽

Photophysical Properties ◽

Mixed Ligand ◽

Wavelength Shift ◽

Ancillary Ligand ◽

Stacking Structure

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Effect of Main Versus Ancillary Ligand Substitution on the Photophysical Properties of a Series of Ir(III) Complexes: A Detailed Theoretical Investigation

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c03102 ◽

2020 ◽

Vol 124 (23) ◽

pp. 4654-4665 ◽

Cited By ~ 2

Author(s):

Pallab Gayen ◽

Ujjwal Das ◽

Snehasis Banerjee

Keyword(s):

Theoretical Investigation ◽

Photophysical Properties ◽

Ligand Substitution ◽

Ancillary Ligand

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Theoretical investigation on the effect of ancillary ligand modification for highly efficient phosphorescent platinum(ii) complex design

RSC Advances ◽

10.1039/c7ra00705a ◽

2017 ◽

Vol 7 (28) ◽

pp. 17368-17376 ◽

Cited By ~ 13

Author(s):

Hong-Wei Fan ◽

Fu-Quan Bai ◽

Zhi-Xiang Zhang ◽

Yu Wang ◽

Ze-Xing Qu ◽

...

Keyword(s):

Quantum Efficiency ◽

Theoretical Investigation ◽

Organic Light Emitting Diodes ◽

Luminescent Materials ◽

Ancillary Ligand ◽

Ancillary Ligands ◽

Light Emitting ◽

Ligand Modification ◽

Organic Light ◽

Complex Design

Reasonable modification of ancillary ligands for Pt(ii) complexes can effectively improve the quantum efficiency and strengthen the rigidity of luminescent materials in organic light-emitting diodes.

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Theoretical investigation on the electronic structures and photophysical properties of a series of iridium(III) complexes based on amidate ancillary ligand

Optik ◽

10.1016/j.ijleo.2015.12.010 ◽

2016 ◽

Vol 127 (6) ◽

pp. 3230-3234

Author(s):

Deming Han ◽

Xiaofeng Zhang ◽

Guozhong Xu ◽

Jingmei Li ◽

Lihui Zhao ◽

...

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Photophysical Properties ◽

Ancillary Ligand

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Tuning the color and phosphorescent properties of iridium(III) complexes with phosphine-silanolate ancillary ligand: A theoretical investigation

Organic Electronics ◽

10.1016/j.orgel.2015.10.021 ◽

2016 ◽

Vol 28 ◽

pp. 100-110 ◽

Cited By ~ 10

Author(s):

Qing Zhang ◽

Li Wang ◽

Xin Wang ◽

Yonghong Li ◽

Jinglai Zhang

Keyword(s):

Theoretical Investigation ◽

Ancillary Ligand

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Theoretical investigation on the electronic structures and phosphorescent properties of seven iridium(III) complexes with the different substituted 2-phenylpyridinato ancillary ligand

Chemical Physics Letters ◽

10.1016/j.cplett.2014.02.023 ◽

2014 ◽

Vol 595-596 ◽

pp. 260-265 ◽

Cited By ~ 6

Author(s):

Deming Han ◽

Chengyu Li ◽

Lihui Zhao ◽

Xiuping Sun ◽

Gang Zhang

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Ancillary Ligand

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Radical Anions of Metallo-organic Diazines: Structural, Spectroscopic, and Theoretical Investigation of a Pyrazyl Radical Anion

Organometallics ◽

10.1021/om900668n ◽

2009 ◽

Vol 28 (21) ◽

pp. 6194-6200 ◽

Cited By ~ 3

Author(s):

Sylvie Choua ◽

Jean-Pierre Djukic ◽

Jérôme Dalléry ◽

Richard Welter ◽

Philippe Turek ◽

...

Keyword(s):

Theoretical Investigation ◽

Radical Anion ◽

Radical Anions

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Theoretical investigation on radical anion promoted electrocyclization in photochromes

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2020.107550 ◽

2020 ◽

Vol 97 ◽

pp. 107550

Author(s):

Nadia Bibi ◽

Naveen Kosar ◽

Khurshid Ayub ◽

Tariq Mahmood

Keyword(s):

Theoretical Investigation ◽

Radical Anion

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Theoretical investigation of the reaction mechanism of atomic oxygen radical anion with pyridine

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2010.07.032 ◽

2010 ◽

Vol 958 (1-3) ◽

pp. 82-91

Author(s):

Lixia Wu ◽

Feng Yu ◽

Lei Song ◽

Xiaoguo Zhou ◽

Shilin Liu

Keyword(s):

Reaction Mechanism ◽

Theoretical Investigation ◽

Radical Anion ◽

Atomic Oxygen ◽

Oxygen Radical

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Theoretical investigation of photophysical properties for a series of iridium(iii) complexes with different substituted 2,5-diphenyl-1,3,4-oxadiazole

New Journal of Chemistry ◽

10.1039/c5nj02708j ◽

2016 ◽

Vol 40 (2) ◽

pp. 1111-1117 ◽

Cited By ~ 13

Author(s):

Xiaohong Shang ◽

Yanan Li ◽

Qing Zhan ◽

Gang Zhang

Keyword(s):

Charge Transport ◽

Electronic Properties ◽

Theoretical Investigation ◽

Quantum Chemical ◽

Photophysical Properties ◽

Transport Parameter ◽

Iridium Complexes ◽

Ancillary Ligand ◽

Quantum Chemical Investigation ◽

Structural And Electronic Properties

A quantum chemical investigation from structural and electronic properties and some charge-transport parameter viewpoints was performed on several homoleptic iridium complexes [(C∧N)2Ir(pic)] with the 2,5-diaryl-1,3,4-oxadia-zoles moiety in C∧N ligands, where pic represents the picolinate ancillary ligand.

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